Methyl 3-Bromo-2-fluorobenzoate - CAS 206551-41-9
Catalog: |
BB016134 |
Product Name: |
Methyl 3-Bromo-2-fluorobenzoate |
CAS: |
206551-41-9 |
Synonyms: |
3-bromo-2-fluorobenzoic acid methyl ester; methyl 3-bromo-2-fluorobenzoate |
IUPAC Name: | methyl 3-bromo-2-fluorobenzoate |
Description: | Methyl 3-Bromo-2-fluorobenzoate (CAS# 206551-41-9) is a useful research chemical. |
Molecular Weight: | 233.03 |
Molecular Formula: | C8H6BrFO2 |
Canonical SMILES: | COC(=O)C1=C(C(=CC=C1)Br)F |
InChI: | InChI=1S/C8H6BrFO2/c1-12-8(11)5-3-2-4-6(9)7(5)10/h2-4H,1H3 |
InChI Key: | ZWOFHFOFKBYRHV-UHFFFAOYSA-N |
Boiling Point: | 255.391 ℃ at 760 mmHg |
Density: | 1.578 g/cm3 |
MDL: | MFCD09261255 |
LogP: | 2.37480 |
GHS Hazard Statement: | H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021105960-A1 | Substituted tricyclic compounds | 20191129 |
WO-2021077010-A1 | Bifunctional molecules containing an e3 ubiquitine ligase binding moiety linked to a bcl6 targeting moiety | 20191017 |
WO-2021001330-A1 | Heterocyclic monoacylglycerol lipase (magl) inhibitors | 20190703 |
US-2020361939-A1 | Modulators of alpha-1 antitrypsin | 20190514 |
JP-2020128368-A | Medicine containing an azole-substituted pyridine compound as an active ingredient | 20190208 |
Complexity: | 174 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 231.95352 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 231.95352 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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